(6-bromanylquinazolin-4-yl)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium chloride

Systemtic Name: (6-bromanylquinazolin-4-yl)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium chloride Openeye Name: (6-bromoquinazolin-4-yl)-(6-hydroxy-6-oxo-hexyl)ammonium chloride CAS Name: (6-bromo-4-quinazolinyl)-(6-hydroxy-6-oxohexyl)ammonium chloride IUPAC Name: (6-bromoquinazolin-4-yl)-(6-hydroxy-6-oxohexyl)azanium chloride Traditional Name: (6-bromoquinazolin-4-yl)-(6-hydroxy-6-keto-hexyl)ammonium chloride Formula: C14H17BrClN3O2 MolecularWeight: 374.66068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC=N2)[NH2+]CCCCCC(=O)O.[Cl-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC=N2)[NH2+]CCCCCC(=O)O.[Cl-]

InChI

InChI=1S/C14H16BrN3O2.ClH/c15-10-5-6-12-11(8-10)14(18-9-17-12)16-7-3-1-2-4-13(19)20;/h5-6,8-9H,1-4,7H2,(H,19,20)(H,16,17,18);1H